UCSF

ZINC17751418

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 31 No

Popular Name: 4-(4-butoxybenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxybenzoyl)-1-[2-(dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 9.84 -73.55 1 7 0 87 423.513 10 ↓
Hi High (pH 8-9.5) 2.61 7.31 -55.7 0 7 -1 86 422.505 10 ↓
Mid Mid (pH 6-8) 2.61 9.74 -46.25 2 7 1 84 424.521 10 ↓
Mid Mid (pH 6-8) 2.03 10.1 -49.58 1 7 1 81 424.521 10 ↓
Lo Low (pH 4.5-6) 2.61 10.02 -96.25 3 7 2 85 425.529 10 ↓
Lo Low (pH 4.5-6) 2.03 10.38 -105.93 2 7 2 82 425.529 10 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )